| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:53 UTC |
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| Update Date | 2025-03-21 18:31:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085851 |
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| Frequency | 33.3 |
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| Structure | |
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| Chemical Formula | C18H20O5 |
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| Molecular Mass | 316.1311 |
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| SMILES | COc1cc(CCC(=O)CC(O)c2cccc(O)c2)ccc1O |
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| InChI Key | MVHKWMBUBNQDQM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | gingerols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholsbeta-hydroxy ketonesfatty alcoholshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholfatty acylbeta-hydroxy ketonephenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneorganic oxidefatty alcoholalcohol1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundgingerolorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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